3-(2-methylphenyl)-2-[1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(2-methylphenyl)-2-[1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(o-tolyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(2-methylphenyl)-2-[[1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(2-methylphenyl)-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-keto-1-methyl-2-(4-methylpiperidino)ethyl]thio]-3-(o-tolyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C28H29N3O2S2 MolecularWeight: 503.67876

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2C5=CC=CC=C5C

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)SC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2C5=CC=CC=C5C

InChI

InChI=1S/C28H29N3O2S2/c1-18-13-15-30(16-14-18)26(32)20(3)35-28-29-25-24(22(17-34-25)21-10-5-4-6-11-21)27(33)31(28)23-12-8-7-9-19(23)2/h4-12,17-18,20H,13-16H2,1-3H3